N,8-dimethyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide

C16H26N2O2S — CID 60999425

IUPACN,8-dimethyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C(C)C(C)C)c2c1NCCC2
InChIInChI=1S/C16H26N2O2S/c1-11(2)13(4)18(5)21(19,20)15-9-8-12(3)16-14(15)7-6-10-17-16/h8-9,11,13,17H,6-7,10H2,1-5H3
InChIKeyYNYZRKCYLVXVOX-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.02
Rot. Bonds4

About N,8-dimethyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide

N,8-dimethyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide (PubChem CID 60999425) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N,8-dimethyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide.

Molecular Properties

Compound NameN,8-dimethyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
PubChem CID60999425
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN,8-dimethyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C(C)C(C)C)c2c1NCCC2
InChIInChI=1S/C16H26N2O2S/c1-11(2)13(4)18(5)21(19,20)15-9-8-12(3)16-14(15)7-6-10-17-16/h8-9,11,13,17H,6-7,10H2,1-5H3
InChIKeyYNYZRKCYLVXVOX-UHFFFAOYSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,8-dimethyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide with MolForge

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Related Compounds

4-(3-Cyclohexen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
CID 619328
1-Methyl-1,2,3,4-tetrahydroquinoline-7-sulfonamide
CID 72107716
1,2,3,4-Tetrahydro-3-methyl-8-quinolinesulfonamide
CID 42959251
N-[2,6-dimethyl-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N,4-dimethylbenzenesulfonamide
CID 2938624
3-[benzenesulfonyl(methyl)amino]-N-ethyl-2,4,6-trimethylbenzenesulfonamide
CID 7172630
N-(2,6-dimethyl-3-piperidin-1-ylsulfonylphenyl)methanesulfonamide
CID 2973563
1-[(2,4,6-Trimethylphenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline
CID 669093
N-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-amine
CID 146627918
N,N-Dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 221211
N,2,4,6-tetramethyl-3-[methyl(phenylsulfonyl)amino]benzenesulfonamide
CID 2974290
4-isopropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
CID 2874832
N-{2,4-dimethyl-5-[(4-methyl-1-piperidinyl)sulfonyl]phenyl}-N,4-dimethylbenzenesulfonamide
CID 2907731

Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The IUPAC name of N,8-dimethyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide (CID 60999425) is N,8-dimethyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide.
What is the SMILES notation for N,8-dimethyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The canonical SMILES for N,8-dimethyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide is Cc1ccc(S(=O)(=O)N(C)C(C)C(C)C)c2c1NCCC2.
What is the InChIKey of N,8-dimethyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The InChIKey is YNYZRKCYLVXVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11(2)13(4)18(5)21(19,20)15-9-8-12(3)16-14(15)7-6-10-17-16/h8-9,11,13,17H,6-7,10H2,1-5H3.
What are the key properties of N,8-dimethyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
N,8-dimethyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide is sourced from PubChem (CID 60999425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).